SCHEMBL10313330

SCHEMBL10313330

FC(F)(F)c1ccc(Cl)c(OCC2CCNC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.51
▸ SLC6A4 P31645 6/20 0.44
▸ SLC6A2 P23975 4/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ SCD O00767 5/20 0.42
▸ KDM1A O60341 3/20 0.40
▸ MAOB P27338 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ TACR1 P25103 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10276018 0.99 MAP2K1 (0.50) MAP2K1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL28762473 0.90 MAP2K1 (0.51) MAP2K1SLC6A4SLC6A2SLC6A3
SCHEMBL2561940 0.89 SLC6A4 (0.44) MAP2K1SLC6A4SLC6A2SLC6A3SCD
Hydrochloric Acid SCHEMBL1230448 0.88 SLC6A4 (0.43) MAP2K1SLC6A4SLC6A2SLC6A3SCD
SCHEMBL26014127 0.87 MAP2K1 (0.51) MAP2K1SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL31071584 0.82 MGLL (0.48) MAP2K1SLC6A4SLC6A2KDM1AMAOB
SCHEMBL13594955 0.80 MAP2K1 (0.57) MAP2K1SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL21984967 0.79 MRGPRX4 (0.47) SLC6A4HTR2CHTR2B
SCHEMBL3444230 0.78 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL3443767 0.78 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3KDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462121-B1 DERIVATIVES OF 2H PYRIDAZIN-3-ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PF MEDICAMENT (FR) 2015-02-18 — — EP disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 MAP2K1 1913/4885SLC6A4 4102/4885SLC6A2 3488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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